(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone

C16H14F2O4 — CID 146006227

IUPAC(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C16H14F2O4/c1-20-13-7-10(8-14(21-2)16(13)22-3)15(19)9-4-5-11(17)12(18)6-9/h4-8H,1-3H3
InChIKeyZPQDYCVXBZZOFQ-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.22
Rot. Bonds5

About (3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone

(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 146006227) has the molecular formula C16H14F2O4 and a molecular weight of 308.28 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID146006227
Molecular FormulaC16H14F2O4
Molecular Weight308.28 g/mol
Exact Mass308.09
IUPAC Name(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C16H14F2O4/c1-20-13-7-10(8-14(21-2)16(13)22-3)15(19)9-4-5-11(17)12(18)6-9/h4-8H,1-3H3
InChIKeyZPQDYCVXBZZOFQ-UHFFFAOYSA-N
XLogP3.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327398
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
[4-(3-chloro-4,5-dimethoxybenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 55586732
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 146006227) is (3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC.
What is the InChIKey of (3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZPQDYCVXBZZOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O4/c1-20-13-7-10(8-14(21-2)16(13)22-3)15(19)9-4-5-11(17)12(18)6-9/h4-8H,1-3H3.
What are the key properties of (3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone?
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 308.28 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 146006227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).